SCHEMBL15097623

SCHEMBL15097623

COSc1c(C(C)C)cc(C(C)C)c(C#N)c1C(C)C

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15097627 0.79 KDM4E (0.35) AKR1B1
SCHEMBL15097709 0.75
SCHEMBL15097630 0.71 AKR1B1 (0.35) AKR1B1
SCHEMBL15097631 0.71
SCHEMBL14839357 0.67 GABRA1 (0.42)
SCHEMBL11807742 0.67 KDM4E (0.33)
SCHEMBL15097608 0.66 AR (0.39) AKR1B1
SCHEMBL12406503 0.65 FABP3 (0.50) AKR1B1
SCHEMBL28829325 0.64 KDM4E (0.38) AKR1B1
SCHEMBL2155740 0.63 TTR (0.38) AKR1B1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130177851-A1 PHOTORESIST COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-11 US disclosed